N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-(4-ethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-[(3-chlorophenyl)methylthio]propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-[(3-chlorobenzyl)thio]propyl]-2-(4-ethoxy-N-mesyl-anilino)acetamide Formula: C21H27ClN2O4S2 MolecularWeight: 471.03308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O4S2/c1-3-28-20-10-8-19(9-11-20)24(30(2,26)27)15-21(25)23-12-5-13-29-16-17-6-4-7-18(22)14-17/h4,6-11,14H,3,5,12-13,15-16H2,1-2H3,(H,23,25)